methyl 2-[[4-(2-methylpropanoylamino)phenyl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[4-(2-methylpropanoylamino)phenyl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-methylpropanoylamino)anilino]-5-nitro-benzoate CAS Name: 2-[4-[(2-methyl-1-oxopropyl)amino]anilino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylpropanoylamino)anilino]-5-nitrobenzoate Traditional Name: 2-[4-(isobutyrylamino)anilino]-5-nitro-benzoic acid methyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H19N3O5/c1-11(2)17(22)20-13-6-4-12(5-7-13)19-16-9-8-14(21(24)25)10-15(16)18(23)26-3/h4-11,19H,1-3H3,(H,20,22)